#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/86/7208634.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7208634
loop_
_publ_author_name
'Du, Dong-Ying'
'Qin, Jun-Sheng'
'Sun, Cheng-Xin'
'Wang, Xin-Long'
'Zhang, Shu-Ran'
'Shen, Ping'
'Li, Shun-Li'
'Su, Zhong-Min'
'Lan, Ya-Qian'
_publ_section_title
;
 Functional heterometallic coordination polymers with metalloligands as
 tunable luminescent crystalline materials
;
_journal_issue                   37
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              19673
_journal_paper_doi               10.1039/c2jm34661c
_journal_volume                  22
_journal_year                    2012
_chemical_formula_moiety         'C66 H59 Br4 Eu0.75 N10 O11 Tb0.25 Zn2'
_chemical_formula_sum            'C66 H59 Br4 Eu0.75 N10 O11 Tb0.25 Zn2'
_chemical_formula_weight         1772.31
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.7820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7550(12)
_cell_length_b                   13.5370(10)
_cell_length_c                   33.101(3)
_cell_measurement_temperature    293(2)
_cell_volume                     6957.0(10)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0740
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            41097
_diffrn_reflns_theta_full        27.73
_diffrn_reflns_theta_max         27.73
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    3.965
_exptl_absorpt_correction_T_max  0.5043
_exptl_absorpt_correction_T_min  0.4372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3506
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.242
_refine_diff_density_min         -1.755
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     842
_refine_ls_number_reflns         15842
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1152
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.092
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1323P)²+1.0276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1853
_refine_ls_wR_factor_ref         0.2174
_reflns_number_gt                9097
_reflns_number_total             15842
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2jm34661c.txt
_cod_data_source_block           ifmc-22
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        6957.0(9)
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7208634
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.7746(5) 0.0548(5) 0.0974(2) 0.0369(16) Uani 1 1 d .
C2 C 0.8583(5) 0.1282(6) 0.0614(2) 0.0456(19) Uani 1 1 d .
C3 C 0.7712(5) 0.1494(5) 0.0426(2) 0.0443(19) Uani 1 1 d .
C4 C 0.7535(7) 0.2084(6) 0.0083(2) 0.057(2) Uani 1 1 d .
H4 H 0.6969 0.2218 -0.0036 0.068 Uiso 1 1 calc R
C5 C 0.8190(8) 0.2459(8) -0.0075(4) 0.085(3) Uani 1 1 d .
H5 H 0.8072 0.2850 -0.0309 0.102 Uiso 1 1 calc R
C6 C 0.9067(8) 0.2279(8) 0.0104(3) 0.080(3) Uani 1 1 d .
H6 H 0.9508 0.2549 -0.0015 0.096 Uiso 1 1 calc R
C7 C 0.9266(6) 0.1700(7) 0.0457(3) 0.060(2) Uani 1 1 d .
H7 H 0.9834 0.1597 0.0582 0.072 Uiso 1 1 calc R
C8 C 0.6263(5) 0.0970(6) 0.0586(3) 0.0464(19) Uani 1 1 d .
H8A H 0.6038 0.1449 0.0377 0.056 Uiso 1 1 calc R
H8B H 0.6041 0.1132 0.0834 0.056 Uiso 1 1 calc R
C9 C 0.5969(5) -0.0048(5) 0.0444(2) 0.0403(17) Uani 1 1 d .
C10 C 0.6240(6) -0.0493(7) 0.0113(3) 0.055(2) Uani 1 1 d .
H10 H 0.6603 -0.0142 -0.0029 0.066 Uiso 1 1 calc R
C11 C 0.5996(5) -0.1430(6) -0.0015(3) 0.051(2) Uani 1 1 d .
H11 H 0.6200 -0.1706 -0.0238 0.061 Uiso 1 1 calc R
C12 C 0.5449(5) -0.1959(5) 0.0185(2) 0.0391(17) Uani 1 1 d .
C13 C 0.5147(5) -0.1517(6) 0.0514(3) 0.049(2) Uani 1 1 d .
H13 H 0.4757 -0.1851 0.0646 0.059 Uiso 1 1 calc R
C14 C 0.5428(5) -0.0575(6) 0.0644(3) 0.050(2) Uani 1 1 d .
H14 H 0.5244 -0.0300 0.0872 0.059 Uiso 1 1 calc R
C15 C 0.5190(5) -0.2998(6) 0.0064(2) 0.044(2) Uani 1 1 d .
C16 C 0.8886(5) 0.1591(5) 0.1877(2) 0.0368(16) Uani 1 1 d .
C17 C 1.0182(5) 0.2000(5) 0.1821(2) 0.0387(17) Uani 1 1 d .
C18 C 0.9769(5) 0.2828(6) 0.1937(2) 0.0428(19) Uani 1 1 d .
C19 C 1.0195(7) 0.3769(6) 0.1994(3) 0.061(3) Uani 1 1 d .
H19 H 0.9926 0.4328 0.2075 0.073 Uiso 1 1 calc R
C20 C 1.1019(7) 0.3786(7) 0.1920(3) 0.064(3) Uani 1 1 d .
H20 H 1.1322 0.4378 0.1954 0.076 Uiso 1 1 calc R
C21 C 1.1422(6) 0.2974(8) 0.1798(3) 0.067(3) Uani 1 1 d .
H21 H 1.1982 0.3040 0.1747 0.081 Uiso 1 1 calc R
C22 C 1.1027(5) 0.2041(7) 0.1745(3) 0.053(2) Uani 1 1 d .
H22 H 1.1308 0.1489 0.1665 0.064 Uiso 1 1 calc R
C23 C 0.8246(5) 0.3236(5) 0.2007(2) 0.0428(18) Uani 1 1 d .
H23A H 0.8466 0.3783 0.2184 0.051 Uiso 1 1 calc R
H23B H 0.7811 0.2900 0.2131 0.051 Uiso 1 1 calc R
C24 C 0.7839(5) 0.3634(5) 0.1590(2) 0.0378(17) Uani 1 1 d .
C25 C 0.7120(5) 0.4262(6) 0.1569(2) 0.0464(19) Uani 1 1 d .
H25 H 0.6914 0.4428 0.1807 0.056 Uiso 1 1 calc R
C26 C 0.6727(5) 0.4628(7) 0.1200(2) 0.049(2) Uani 1 1 d .
H26 H 0.6255 0.5044 0.1191 0.059 Uiso 1 1 calc R
C27 C 0.7009(4) 0.4398(5) 0.0842(2) 0.0348(16) Uani 1 1 d .
C28 C 0.7740(5) 0.3821(5) 0.0861(2) 0.0388(17) Uani 1 1 d .
H28 H 0.7962 0.3691 0.0623 0.047 Uiso 1 1 calc R
C29 C 0.8145(5) 0.3436(6) 0.1232(2) 0.0424(18) Uani 1 1 d .
H29 H 0.8629 0.3039 0.1240 0.051 Uiso 1 1 calc R
C30 C 0.6531(5) -0.5292(5) 0.0428(2) 0.0358(16) Uani 1 1 d .
C31 C 0.9262(4) -0.2253(5) 0.1400(2) 0.0368(16) Uani 1 1 d .
C32 C 1.1255(5) -0.8093(6) -0.0764(2) 0.048(2) Uani 1 1 d .
C33 C 1.1182(5) -0.7068(6) -0.0799(3) 0.0466(19) Uani 1 1 d .
C34 C 1.1437(6) -0.6440(7) -0.0477(3) 0.062(2) Uani 1 1 d .
H34 H 1.1405 -0.5758 -0.0509 0.074 Uiso 1 1 calc R
C35 C 1.1747(7) -0.6869(9) -0.0100(3) 0.084(4) Uani 1 1 d .
H35 H 1.1916 -0.6469 0.0128 0.101 Uiso 1 1 calc R
C36 C 1.1808(7) -0.7922(9) -0.0059(3) 0.085(4) Uani 1 1 d .
H36 H 1.2015 -0.8200 0.0196 0.101 Uiso 1 1 calc R
C37 C 1.1560(7) -0.8523(7) -0.0394(3) 0.069(3) Uani 1 1 d .
H37 H 1.1600 -0.9207 -0.0370 0.083 Uiso 1 1 calc R
C38 C 1.0472(5) -0.5926(5) -0.1350(3) 0.047(2) Uani 1 1 d .
H38A H 1.0354 -0.5922 -0.1647 0.056 Uiso 1 1 calc R
H38B H 1.0880 -0.5401 -0.1260 0.056 Uiso 1 1 calc R
C39 C 0.9650(5) -0.5737(5) -0.1188(2) 0.0388(17) Uani 1 1 d .
C40 C 0.9037(6) -0.6469(7) -0.1197(3) 0.056(2) Uani 1 1 d .
H40 H 0.9150 -0.7093 -0.1292 0.067 Uiso 1 1 calc R
C41 C 0.8240(5) -0.6295(7) -0.1065(3) 0.054(2) Uani 1 1 d .
H41 H 0.7829 -0.6792 -0.1081 0.065 Uiso 1 1 calc R
C42 C 0.8083(5) -0.5371(6) -0.0912(2) 0.0406(17) Uani 1 1 d .
C43 C 0.8712(6) -0.4662(6) -0.0890(3) 0.053(2) Uani 1 1 d .
H43 H 0.8626 -0.4051 -0.0776 0.064 Uiso 1 1 calc R
C44 C 0.9474(6) -0.4837(6) -0.1035(3) 0.058(2) Uani 1 1 d .
H44 H 0.9874 -0.4330 -0.1029 0.069 Uiso 1 1 calc R
C45 C 0.7254(6) -0.5201(7) -0.0781(2) 0.048(2) Uani 1 1 d .
C46 C 1.1063(4) -0.0635(5) 0.1816(2) 0.0363(16) Uani 1 1 d .
C47 C 1.1320(5) -0.0336(6) 0.1209(2) 0.0451(19) Uani 1 1 d .
C48 C 1.2115(5) -0.0498(7) 0.1463(3) 0.053(2) Uani 1 1 d .
C49 C 1.2893(6) -0.0464(9) 0.1312(3) 0.078(3) Uani 1 1 d .
H49 H 1.3423 -0.0564 0.1479 0.093 Uiso 1 1 calc R
C50 C 1.2818(7) -0.0269(10) 0.0892(4) 0.093(4) Uani 1 1 d .
H50 H 1.3321 -0.0209 0.0782 0.112 Uiso 1 1 calc R
C51 C 1.2047(7) -0.0162(10) 0.0636(3) 0.089(4) Uani 1 1 d .
H51 H 1.2037 -0.0081 0.0356 0.107 Uiso 1 1 calc R
C52 C 1.1273(7) -0.0171(8) 0.0789(3) 0.068(3) Uani 1 1 d .
H52 H 1.0748 -0.0073 0.0618 0.081 Uiso 1 1 calc R
C53 C 1.2574(5) -0.1017(7) 0.2198(2) 0.051(2) Uani 1 1 d .
H53A H 1.2310 -0.1019 0.2442 0.061 Uiso 1 1 calc R
H53B H 1.3042 -0.0543 0.2239 0.061 Uiso 1 1 calc R
C54 C 1.2921(5) -0.1999(6) 0.2141(2) 0.0426(18) Uani 1 1 d .
C55 C 1.3758(5) -0.2138(7) 0.2073(2) 0.055(2) Uani 1 1 d .
H55 H 1.4120 -0.1594 0.2077 0.066 Uiso 1 1 calc R
C56 C 1.4067(5) -0.3067(7) 0.1999(2) 0.052(2) Uani 1 1 d .
H56 H 1.4633 -0.3150 0.1959 0.063 Uiso 1 1 calc R
C57 C 1.3512(5) -0.3884(6) 0.1987(2) 0.047(2) Uani 1 1 d .
C58 C 1.2691(5) -0.3755(7) 0.2075(3) 0.058(2) Uani 1 1 d .
H58 H 1.2336 -0.4299 0.2087 0.069 Uiso 1 1 calc R
C59 C 1.2398(5) -0.2809(7) 0.2145(3) 0.056(2) Uani 1 1 d .
H59 H 1.1839 -0.2725 0.2195 0.068 Uiso 1 1 calc R
C60 C 1.3818(6) -0.4876(7) 0.1873(3) 0.056(2) Uani 1 1 d .
C61 C 0.7454(5) -0.0055(5) 0.1307(2) 0.0396(17) Uani 1 1 d .
H61A H 0.6909 0.0193 0.1365 0.048 Uiso 1 1 calc R
H61B H 0.7377 -0.0741 0.1223 0.048 Uiso 1 1 calc R
C62 C 0.8070(5) 0.1000(5) 0.1861(2) 0.0387(17) Uani 1 1 d .
H62A H 0.7954 0.0914 0.2137 0.046 Uiso 1 1 calc R
H62B H 0.7593 0.1365 0.1706 0.046 Uiso 1 1 calc R
C63 C 0.9637(5) -0.2129(5) 0.1842(2) 0.0382(17) Uani 1 1 d .
H63A H 0.9295 -0.2500 0.2007 0.046 Uiso 1 1 calc R
H63B H 1.0216 -0.2400 0.1892 0.046 Uiso 1 1 calc R
C64 C 1.0567(4) -0.0776(6) 0.2159(2) 0.0393(17) Uani 1 1 d .
H64A H 1.0547 -0.0163 0.2309 0.047 Uiso 1 1 calc R
H64B H 1.0840 -0.1275 0.2348 0.047 Uiso 1 1 calc R
C65 C 0.8143(5) -0.0786(6) 0.1972(2) 0.0399(17) Uani 1 1 d .
H65A H 0.7997 -0.1402 0.1827 0.048 Uiso 1 1 calc R
H65B H 0.7716 -0.0664 0.2146 0.048 Uiso 1 1 calc R
C66 C 0.9027(4) -0.0879(6) 0.2237(2) 0.0419(18) Uani 1 1 d .
H66A H 0.9174 -0.0268 0.2386 0.050 Uiso 1 1 calc R
H66B H 0.9022 -0.1406 0.2435 0.050 Uiso 1 1 calc R
N1 N 0.8568(4) 0.0672(4) 0.09566(18) 0.0346(13) Uani 1 1 d .
N2 N 0.7215(4) 0.1019(4) 0.06674(19) 0.0388(14) Uani 1 1 d .
N3 N 0.9600(4) 0.1218(4) 0.17840(19) 0.0374(14) Uani 1 1 d .
N4 N 0.8954(4) 0.2547(4) 0.19751(17) 0.0373(14) Uani 1 1 d .
N5 N 0.9024(4) -0.1484(4) 0.11548(18) 0.0416(15) Uani 1 1 d .
N6 N 1.0851(4) -0.6878(4) -0.1206(2) 0.0399(15) Uani 1 1 d .
N7 N 1.0682(4) -0.0404(5) 0.14425(18) 0.0364(14) Uani 1 1 d .
N8 N 1.1929(4) -0.0707(5) 0.18441(19) 0.0440(15) Uani 1 1 d .
N9 N 0.8123(4) 0.0028(4) 0.16726(19) 0.0370(14) Uani 1 1 d .
N10 N 0.9672(4) -0.1096(5) 0.19736(17) 0.0357(14) Uani 1 1 d .
O1 O 0.5606(4) -0.3405(4) -0.01945(18) 0.0519(14) Uani 1 1 d .
O2 O 0.5411(3) -0.6623(4) -0.02134(17) 0.0465(13) Uani 1 1 d .
O1W O 0.5283(4) -0.3967(5) -0.10436(19) 0.0638(17) Uani 1 1 d .
O3 O 0.6899(3) -0.5317(4) 0.01252(16) 0.0447(13) Uani 1 1 d .
O2W O 0.5057(4) -0.6082(5) -0.10605(19) 0.0724(19) Uani 1 1 d .
O4 O 0.4249(3) -0.4965(4) -0.03925(16) 0.0446(13) Uani 1 1 d .
O5 O 0.7058(4) -0.4365(5) -0.06735(19) 0.0583(16) Uani 1 1 d .
O6 O 0.6755(4) -0.5943(5) -0.0759(2) 0.0691(19) Uani 1 1 d .
O7 O 1.3248(4) -0.5554(5) 0.1876(2) 0.0703(18) Uani 1 1 d .
H7A H 1.3441 -0.6084 0.1813 0.105 Uiso 1 1 calc R
O8 O 1.4535(5) -0.5003(5) 0.1784(2) 0.077(2) Uani 1 1 d .
Zn1 Zn 0.93707(5) -0.00928(6) 0.14106(3) 0.0339(2) Uani 1 1 d .
Zn2 Zn 0.93691(6) -0.41343(8) 0.28598(3) 0.0521(3) Uani 1 1 d .
Br1 Br 1.07123(7) -0.38937(9) 0.26263(4) 0.0800(4) Uani 1 1 d .
Br2 Br 0.92982(7) -0.57762(8) 0.31195(4) 0.0731(3) Uani 1 1 d .
Br3 Br 0.82217(7) -0.38907(9) 0.22842(3) 0.0757(3) Uani 1 1 d .
Br4 Br 0.92152(8) -0.29541(9) 0.33830(4) 0.0878(4) Uani 1 1 d .
Eu1 Eu 0.57234(2) -0.50354(3) -0.043432(11) 0.03588(13) Uani 0.75 1 d P
Tb1 Tb 0.57234(2) -0.50354(3) -0.043432(11) 0.03588(13) Uani 0.25 1 d P
O3W O 1.3589(8) -0.7296(10) 0.1610(4) 0.176(5) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 C1 N2 113.2(6) . .
N1 C1 C61 121.7(6) . .
N2 C1 C61 125.1(7) . .
C7 C2 N1 131.3(8) . .
C7 C2 C3 119.9(8) . .
N1 C2 C3 108.7(7) . .
N2 C3 C4 134.1(8) . .
N2 C3 C2 104.6(6) . .
C4 C3 C2 121.3(8) . .
C5 C4 C3 118.8(10) . .
C4 C5 C6 122.1(10) . .
C7 C6 C5 120.3(10) . .
C6 C7 C2 117.5(9) . .
N2 C8 C9 110.3(6) . .
C14 C9 C10 117.3(7) . .
C14 C9 C8 120.8(7) . .
C10 C9 C8 121.9(8) . .
C11 C10 C9 122.8(8) . .
C10 C11 C12 119.8(8) . .
C13 C12 C11 118.5(7) . .
C13 C12 C15 119.8(7) . .
C11 C12 C15 121.7(7) . .
C12 C13 C14 120.1(8) . .
C9 C14 C13 121.3(8) . .
O2 C15 O1 126.3(8) 3_645 .
O2 C15 C12 118.0(7) 3_645 .
O1 C15 C12 115.6(8) . .
N4 C16 N3 113.1(7) . .
N4 C16 C62 123.8(7) . .
N3 C16 C62 123.1(7) . .
C18 C17 N3 107.9(7) . .
C18 C17 C22 121.8(7) . .
N3 C17 C22 130.3(7) . .
N4 C18 C17 107.1(6) . .
N4 C18 C19 131.3(8) . .
C17 C18 C19 121.6(8) . .
C20 C19 C18 115.5(9) . .
C21 C20 C19 123.0(9) . .
C20 C21 C22 122.8(9) . .
C17 C22 C21 115.3(9) . .
N4 C23 C24 111.6(6) . .
C25 C24 C29 118.1(7) . .
C25 C24 C23 118.0(7) . .
C29 C24 C23 123.8(7) . .
C26 C25 C24 120.1(7) . .
C25 C26 C27 121.8(7) . .
C28 C27 C26 118.6(7) . .
C28 C27 C30 118.8(7) . 1_565
C26 C27 C30 122.5(7) . 1_565
C27 C28 C29 120.4(7) . .
C24 C29 C28 120.9(7) . .
O3 C30 O4 120.8(7) . 3_645
O3 C30 C27 119.8(7) . 1_545
O4 C30 C27 119.3(7) 3_645 1_545
O3 C30 Eu1 53.4(4) . .
O4 C30 Eu1 67.9(4) 3_645 .
C27 C30 Eu1 169.2(5) 1_545 .
N6 C31 N5 113.2(6) 3_745 .
N6 C31 C63 124.6(7) 3_745 .
N5 C31 C63 122.2(6) . .
C37 C32 C33 120.6(8) . .
C37 C32 N5 130.8(8) . 3_745
C33 C32 N5 108.6(7) . 3_745
N6 C33 C32 106.1(7) . .
N6 C33 C34 130.9(8) . .
C32 C33 C34 122.9(8) . .
C35 C34 C33 116.9(9) . .
C36 C35 C34 120.7(9) . .
C35 C36 C37 120.3(10) . .
C36 C37 C32 118.6(9) . .
N6 C38 C39 111.1(6) . .
C40 C39 C44 117.6(7) . .
C40 C39 C38 120.7(7) . .
C44 C39 C38 121.7(7) . .
C39 C40 C41 121.8(8) . .
C42 C41 C40 119.0(8) . .
C43 C42 C41 118.5(7) . .
C43 C42 C45 123.3(8) . .
C41 C42 C45 118.3(8) . .
C44 C43 C42 121.5(8) . .
C43 C44 C39 121.6(8) . .
O5 C45 O6 120.8(8) . .
O5 C45 C42 120.4(8) . .
O6 C45 C42 118.7(8) . .
O5 C45 Eu1 62.8(5) . .
O6 C45 Eu1 58.1(4) . .
C42 C45 Eu1 172.3(6) . .
N7 C46 N8 112.0(6) . .
N7 C46 C64 121.9(6) . .
N8 C46 C64 126.1(6) . .
C52 C47 C48 120.8(8) . .
C52 C47 N7 130.6(8) . .
C48 C47 N7 108.6(7) . .
C49 C48 N8 132.1(8) . .
C49 C48 C47 121.9(8) . .
N8 C48 C47 106.0(7) . .
C48 C49 C50 115.4(9) . .
C51 C50 C49 123.5(9) . .
C52 C51 C50 120.9(9) . .
C51 C52 C47 117.4(9) . .
N8 C53 C54 112.3(7) . .
C59 C54 C55 118.8(8) . .
C59 C54 C53 119.1(7) . .
C55 C54 C53 122.1(7) . .
C54 C55 C56 121.5(8) . .
C55 C56 C57 118.9(8) . .
C58 C57 C56 119.6(8) . .
C58 C57 C60 121.3(8) . .
C56 C57 C60 119.1(8) . .
C57 C58 C59 119.9(8) . .
C54 C59 C58 121.0(8) . .
O8 C60 O7 125.1(9) . .
O8 C60 C57 122.4(9) . .
O7 C60 C57 112.5(8) . .
N9 C61 C1 107.2(6) . .
N9 C62 C16 112.5(6) . .
N10 C63 C31 112.8(6) . .
C46 C64 N10 107.6(6) . .
N9 C65 C66 111.2(6) . .
N10 C66 C65 109.3(6) . .
C1 N1 C2 105.2(6) . .
C1 N1 Zn1 112.9(5) . .
C2 N1 Zn1 141.9(5) . .
C1 N2 C3 108.3(6) . .
C1 N2 C8 126.3(7) . .
C3 N2 C8 125.2(6) . .
C16 N3 C17 105.3(6) . .
C16 N3 Zn1 112.5(5) . .
C17 N3 Zn1 136.1(5) . .
C16 N4 C18 106.6(6) . .
C16 N4 C23 127.0(6) . .
C18 N4 C23 124.5(6) . .
C31 N5 C32 104.6(6) . 3_745
C31 N5 Zn1 115.3(5) . .
C32 N5 Zn1 138.7(5) 3_745 .
C31 N6 C33 107.5(6) 3_745 .
C31 N6 C38 127.1(7) 3_745 .
C33 N6 C38 123.1(6) . .
C46 N7 C47 106.5(6) . .
C46 N7 Zn1 112.6(5) . .
C47 N7 Zn1 140.4(5) . .
C46 N8 C48 107.0(6) . .
C46 N8 C53 128.6(6) . .
C48 N8 C53 124.3(6) . .
C61 N9 C65 115.3(6) . .
C61 N9 C62 109.6(5) . .
C65 N9 C62 112.3(6) . .
C61 N9 Zn1 103.0(5) . .
C65 N9 Zn1 106.2(4) . .
C62 N9 Zn1 109.9(4) . .
C63 N10 C66 111.7(6) . .
C63 N10 C64 112.5(6) . .
C66 N10 C64 113.2(6) . .
C63 N10 Zn1 109.5(4) . .
C66 N10 Zn1 107.1(4) . .
C64 N10 Zn1 102.3(4) . .
C15 O1 Eu1 134.5(5) . .
C15 O2 Eu1 135.3(5) 3_645 .
C30 O3 Eu1 102.3(4) . .
C30 O4 Eu1 163.8(5) 3_645 .
C30 O4 Tb1 86.7(4) 3_645 3_645
Eu1 O4 Tb1 102.20(18) . 3_645
C30 O4 Eu1 86.7(4) 3_645 3_645
Eu1 O4 Eu1 102.20(18) . 3_645
Tb1 O4 Eu1 0.0 3_645 3_645
C45 O5 Eu1 91.3(5) . .
C45 O6 Eu1 95.2(5) . .
N1 Zn1 N7 127.8(2) . .
N1 Zn1 N5 94.1(2) . .
N7 Zn1 N5 91.5(3) . .
N1 Zn1 N3 91.6(2) . .
N7 Zn1 N3 93.9(2) . .
N5 Zn1 N3 167.4(3) . .
N1 Zn1 N9 77.3(2) . .
N7 Zn1 N9 154.2(2) . .
N5 Zn1 N9 92.0(2) . .
N3 Zn1 N9 78.2(2) . .
N1 Zn1 N10 154.7(2) . .
N7 Zn1 N10 76.9(2) . .
N5 Zn1 N10 78.5(2) . .
N3 Zn1 N10 91.7(2) . .
N9 Zn1 N10 78.8(2) . .
Br2 Zn2 Br1 109.87(5) . .
Br2 Zn2 Br4 110.05(6) . .
Br1 Zn2 Br4 110.22(6) . .
Br2 Zn2 Br3 109.62(6) . .
Br1 Zn2 Br3 108.10(6) . .
Br4 Zn2 Br3 108.94(6) . .
O4 Eu1 O2 75.99(18) . .
O4 Eu1 O1 78.93(18) . .
O2 Eu1 O1 135.85(19) . .
O4 Eu1 O3 126.66(18) . .
O2 Eu1 O3 77.93(19) . .
O1 Eu1 O3 89.04(19) . .
O4 Eu1 O6 142.03(19) . .
O2 Eu1 O6 82.3(2) . .
O1 Eu1 O6 135.8(2) . .
O3 Eu1 O6 77.1(2) . .
O4 Eu1 O1W 83.2(2) . .
O2 Eu1 O1W 137.8(2) . .
O1 Eu1 O1W 72.7(2) . .
O3 Eu1 O1W 141.9(2) . .
O6 Eu1 O1W 92.9(2) . .
O4 Eu1 O5 151.98(19) . .
O2 Eu1 O5 130.75(18) . .
O1 Eu1 O5 83.51(19) . .
O3 Eu1 O5 74.21(19) . .
O6 Eu1 O5 52.4(2) . .
O1W Eu1 O5 70.7(2) . .
O4 Eu1 O2W 78.4(2) . .
O2 Eu1 O2W 70.7(2) . .
O1 Eu1 O2W 137.5(2) . .
O3 Eu1 O2W 133.1(2) . .
O6 Eu1 O2W 65.1(2) . .
O1W Eu1 O2W 69.4(2) . .
O5 Eu1 O2W 101.0(2) . .
O4 Eu1 O4 77.80(18) . 3_645
O2 Eu1 O4 69.91(17) . 3_645
O1 Eu1 O4 69.63(18) . 3_645
O3 Eu1 O4 49.61(16) . 3_645
O6 Eu1 O4 123.1(2) . 3_645
O1W Eu1 O4 140.26(18) . 3_645
O5 Eu1 O4 116.10(18) . 3_645
O2W Eu1 O4 137.7(2) . 3_645
O4 Eu1 C45 159.8(2) . .
O2 Eu1 C45 106.8(2) . .
O1 Eu1 C45 109.2(2) . .
O3 Eu1 C45 72.9(2) . .
O6 Eu1 C45 26.7(2) . .
O1W Eu1 C45 81.8(2) . .
O5 Eu1 C45 25.8(2) . .
O2W Eu1 C45 83.7(2) . .
O4 Eu1 C45 122.24(19) 3_645 .
O4 Eu1 C30 102.5(2) . .
O2 Eu1 C30 70.66(19) . .
O1 Eu1 C30 80.2(2) . .
O3 Eu1 C30 24.34(19) . .
O6 Eu1 C30 99.1(2) . .
O1W Eu1 C30 150.7(2) . .
O5 Eu1 C30 95.8(2) . .
O2W Eu1 C30 139.8(2) . .
O4 Eu1 C30 25.38(18) 3_645 .
C45 Eu1 C30 97.2(2) . .
O4 Eu1 Tb1 42.33(13) . 3_645
O2 Eu1 Tb1 67.64(13) . 3_645
O1 Eu1 Tb1 69.28(14) . 3_645
O3 Eu1 Tb1 84.72(13) . 3_645
O6 Eu1 Tb1 147.59(18) . 3_645
O1W Eu1 Tb1 117.35(15) . 3_645
O5 Eu1 Tb1 145.81(14) . 3_645
O2W Eu1 Tb1 112.97(16) . 3_645
O4 Eu1 Tb1 35.47(11) 3_645 3_645
C45 Eu1 Tb1 157.61(16) . 3_645
C30 Eu1 Tb1 60.39(15) . 3_645
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.316(9) .
C1 N2 1.359(9) .
C1 C61 1.506(10) .
C2 C7 1.392(11) .
C2 N1 1.407(9) .
C2 C3 1.436(11) .
C3 N2 1.372(10) .
C3 C4 1.377(11) .
C4 C5 1.334(14) .
C5 C6 1.429(15) .
C6 C7 1.399(13) .
C8 N2 1.480(9) .
C8 C9 1.502(10) .
C9 C14 1.367(11) .
C9 C10 1.379(11) .
C10 C11 1.372(12) .
C11 C12 1.374(11) .
C12 C13 1.396(11) .
C12 C15 1.499(11) .
C13 C14 1.394(11) .
C15 O2 1.251(9) 3_645
C15 O1 1.287(9) .
C16 N4 1.335(9) .
C16 N3 1.318(9) .
C16 C62 1.507(10) .
C17 C18 1.382(11) .
C17 N3 1.392(9) .
C17 C22 1.397(11) .
C18 N4 1.366(10) .
C18 C19 1.437(11) .
C19 C20 1.362(13) .
C20 C21 1.365(14) .
C21 C22 1.406(12) .
C23 N4 1.471(9) .
C23 C24 1.519(10) .
C24 C25 1.408(10) .
C24 C29 1.378(10) .
C25 C26 1.366(11) .
C26 C27 1.371(10) .
C27 C28 1.384(10) .
C27 C30 1.507(10) 1_565
C28 C29 1.387(10) .
C30 O3 1.241(9) .
C30 O4 1.263(9) 3_645
C30 C27 1.507(10) 1_545
C30 Eu1 2.942(7) .
C31 N6 1.338(9) 3_745
C31 N5 1.334(9) .
C31 C63 1.493(10) .
C32 C37 1.367(12) .
C32 C33 1.396(11) .
C32 N5 1.413(9) 3_745
C33 N6 1.382(10) .
C33 C34 1.370(11) .
C34 C35 1.387(15) .
C35 C36 1.433(15) .
C36 C37 1.379(13) .
C38 N6 1.466(9) .
C38 C39 1.505(10) .
C39 C40 1.382(11) .
C39 C44 1.364(11) .
C40 C41 1.417(11) .
C41 C42 1.387(11) .
C42 C43 1.373(12) .
C42 C45 1.462(11) .
C43 C44 1.387(12) .
C45 O5 1.242(10) .
C45 O6 1.284(10) .
C45 Eu1 2.851(9) .
C46 N7 1.318(9) .
C46 N8 1.355(9) .
C46 C64 1.496(10) .
C47 C52 1.398(11) .
C47 C48 1.401(11) .
C47 N7 1.371(10) .
C48 C49 1.402(12) .
C48 N8 1.372(10) .
C49 C50 1.399(15) .
C50 C51 1.366(15) .
C51 C52 1.397(14) .
C53 N8 1.475(10) .
C53 C54 1.461(11) .
C54 C59 1.373(11) .
C54 C55 1.388(11) .
C55 C56 1.385(12) .
C56 C57 1.405(12) .
C57 C58 1.383(11) .
C57 C60 1.497(12) .
C58 C59 1.395(12) .
C60 O8 1.226(11) .
C60 O7 1.286(11) .
C61 N9 1.468(9) .
C62 N9 1.465(9) .
C63 N10 1.462(9) .
C64 N10 1.503(8) .
C65 N9 1.479(9) .
C65 C66 1.519(10) .
C66 N10 1.477(9) .
N1 Zn1 2.069(6) .
N3 Zn1 2.157(6) .
N5 C32 1.413(9) 3_745
N5 Zn1 2.099(6) .
N6 C31 1.338(9) 3_745
N7 Zn1 2.093(6) .
N9 Zn1 2.286(6) .
N10 Zn1 2.289(6) .
O1 Eu1 2.363(5) .
O2 C15 1.251(9) 3_645
O2 Eu1 2.349(6) .
O1W Eu1 2.483(6) .
O3 Eu1 2.416(5) .
O2W Eu1 2.582(6) .
O4 C30 1.263(9) 3_645
O4 Eu1 2.352(5) .
O4 Tb1 2.730(5) 3_645
O4 Eu1 2.730(5) 3_645
O5 Eu1 2.537(6) .
O6 Eu1 2.430(6) .
Zn2 Br2 2.3926(15) .
Zn2 Br1 2.3953(14) .
Zn2 Br4 2.3984(15) .
Zn2 Br3 2.4157(15) .
Eu1 O4 2.730(5) 3_645
Eu1 Tb1 3.9621(7) 3_645
